rifamycin 4-dideoxy-1,4-dihydro-1,4-dioxo-21-formate | 51757-10-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: rifamycin 4-dideoxy-1,4-dihydro-1,4-dioxo-21-formate
• 英文别名: O²¹-formyl-O¹,O⁴-didehydro-rifamycin；(1²S,3E,5S,13E,15Z)-7t-acetoxy-11t-formyloxy-1⁵,9c-dihydroxy-5r-methoxy-1^2,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-naphtho[2,1-b]furana-cyclooctadecaphane-3,13,15-triene-1^1,6,9,17-tetraone；O²¹-formyl-rifamycin-S；2,7-(Epoxy(1,11,13)pentadecatrienoimino)naphtho(2,1-b)furan-1,6,9,11(2H)-tetrone, 21-(acetyloxy)-17-(formyloxy)-5,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,16S,17S,18S,19R,20R,21S,22R,23S)-；[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-17-formyloxy-2,15-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
• CAS: 51757-10-9
• 化学式: C₃₈H₄₅NO₁₃
• 分子量: 723.774
• InChiKey: HWEBHJHXHLVOBR-NJDIRJKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  52
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  201
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  利福霉素 、 原甲酸三乙酯 在 对甲苯磺酸 作用下， 生成 rifamycin 4-dideoxy-1,4-dihydro-1,4-dioxo-21-formate
  参考文献：
  名称：

  Zur Kenntnis von Rifamycin-S.-Reaktionen des Ansaringes. Modifikationen von Antibiotica, 8. Mitteilung [1]

  摘要：

  AbstractThe reactivity of rifamycin‐S with respect to acids, bases, and oxydizing or reducing agents has been studied. A number of compounds resulting from these experiments as well as derivatives of rifamycin‐S resulting from acylation and ketalisation reactions are described.

  DOI：

  10.1002/hlca.19730560719